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Ligand

NameCHEMBL314553
Molecular formulaC39H60NO7P
IUPAC name[4-[(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-phosphonooxypropyl]phenyl] 4-pentylbenzoate
Molecular weight685.883
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP11.1
Synonyms4-Pentyl-benzoic acid 4-[(S)-2-((Z)-octadec-9-enoylamino)-3-phosphonooxy-propyl]-phenyl ester
BDBM50146246
Inchi KeyFWOUHSOVALWFJO-QPZFHVBGSA-N
Inchi IDInChI=1S/C39H60NO7P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-38(41)40-36(32-46-48(43,44)45)31-34-25-29-37(30-26-34)47-39(42)35-27-23-33(24-28-35)21-19-6-4-2/h12-13,23-30,36H,3-11,14-22,31-32H2,1-2H3,(H,40,41)(H2,43,44,45)/b13-12-/t36-/m0/s1
PubChem CID44325402
ChEMBLCHEMBL314553
IUPHARN/A
BindingDB50146246
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
89073Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
89072Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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